C31hrinn27 6ONE 2H-FUURO [2 ', 3,5] okregolo [3,2-a) meträ (4 -RE tetrill) phenyllmet josiol (2R, 3R, 3AS, 90) - (9 merkezi, aki)
Esasy fiziki aýratynlyklary | Bahasy | Ýagdaýy |
Molekulýar agramy | 542.58 | - |
Gaýnadylan nokady (çak edilýär) | 692.9 ± 65.0 ° C. | MEKDEB: 760 torr |
Dykyzlygy (çak edilýär) | 1.33 ± 0,1,1 g / cm3 | Bu bellik: 20 ° C; MEKDEB: 760 torr |
pka (çak edilýär) | 12.51 ± 0.60 | "Kisidik temp: 25 ° C. |
Kanoniki ýylgyryşlar o = c1n = c2oc3c (o) c (O) c (c = 4c = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = c (ok) c = c6
Isomceriv w (ok [h] 1o [c @ г> c @> c = c f = c f = c f = c f = c f = c f = c f = cc = c (c5 = 3 = cc = c)
Inchi
InChI=1S/C31H30N2O7/c1-19-17-33-29-27(40-30(33)32-28(19)35)26(34)25(39-29)18-38-31(20-7-5-4-6-8-20,21-9-13-23(36-2)14-10-21
) 22-11-15-24,3-12-23) 16-12-23) 16-12-22-27,29,39,29,34H3 / T25-1, 27 +, 29, 29 / s1
Inchi açary
Bqeqceznliklikliksh-sithkvlssa-n
Bu madda üçin başga bir at
(2R, 3) -2 - [[4,7 söweş)-bir2-scrasxin-7 -2,3-nji edil] -2-bir ýa-da pykimidin-6-bir (faýly)-bir
Spektrler bar
1H nmr
13C nmr
Massa
Elýeterli häsiýetler |
Biologiki |
Himiki |
Dykyzlygy |
Lipinski |
Gurluşy |
Termylal |
Biologiki
Emläk | Bahasy | Ýagdaýy | Çeşme |
Bionokententrasiýa faktory | 2800 | galasy; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2800 | galmak 2; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2800 | ph 3; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2800 | ph 4; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2800 | ph 5; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2800 | ph 6; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2800 | ph 7; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2800 | ph 8; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2800 | ph 9; Memes: 25 ° C. | (1) ACD |
Bionokententrasiýa faktory | 2790 | ph 10; Memes: 25 ° C. | (1) ACD |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Himiki
Emläk | Bahasy | Ýagdaýy | Çeşme |
KOK | 10200 | galasy; Memes: 25 ° C. | (1) ACD |
KOK | 10200 | galmak 2; Memes: 25 ° C. | (1) ACD |
KOK | 10200 | ph 3; Memes: 25 ° C. | (1) ACD |
KOK | 10200 | ph 4; Memes: 25 ° C. | (1) ACD |
KOK | 10200 | ph 5; Memes: 25 ° C. | (1) ACD |
Emläk | Bahasy | Ýagdaýy | Çeşme |
KOK | 10200 | ph 6; Memes: 25 ° C. | (1) ACD |
KOK | 10200 | ph 7; Memes: 25 ° C. | (1) ACD |
KOK | 10200 | ph 8; Memes: 25 ° C. | (1) ACD |
KOK | 10200 | ph 9; Memes: 25 ° C. | (1) ACD |
KOK | 10200 | ph 10; Memes: 25 ° C. | (1) ACD |
surnal | 4.84 | galasy; Memes: 25 ° C. | (1) ACD |
surnal | 4.84 | galmak 2; Memes: 25 ° C. | (1) ACD |
surnal | 4.84 | ph 3; Memes: 25 ° C. | (1) ACD |
surnal | 4.84 | ph 4; Memes: 25 ° C. | (1) ACD |
surnal | 4.84 | ph 5; Memes: 25 ° C. | (1) ACD |
surnal | 4.84 | ph 6; Memes: 25 ° C. | (1) ACD |
surnal | 4.84 | ph 7; Memes: 25 ° C. | (1) ACD |
surnal | 4.84 | ph 8; Memes: 25 ° C. | (1) ACD |
surnal | 4.84 | ph 9; Memes: 25 ° C. | (1) ACD |
surnal | 4.84 | ph 10; Memes: 25 ° C. | (1) ACD |
dilim | 4.839 ± 0.618 | Memes: 25 ° C. | (1) ACD |
Köpçülikleýin gitmek | 3.6 x 10-4 g / l | Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.6 x 10-4 g / l | galasy; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.6 x 10-4 g / l | galmak 2; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.6 x 10-4 g / l | ph 3; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.6 x 10-4 g / l | ph 4; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.6 x 10-4 g / l | ph 5; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.6 x 10-4 g / l | ph 6; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.6 x 10-4 g / l | ph 7; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.6 x 10-4 g / l | ph 8; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.6 x 10-4 g / l | ph 9; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.6 x 10-4 g / l | ph 10; Memes: 25 ° C. | (1) ACD |
Köpçülikleýin çözelbet | 3.6 x 10-4 g / l | Siňdirilmedik suw ph ph 7.00; Memes: 25 ° C. | (1) ACD |
Mollar içerki çözgüt | 6.6 x 10-7 mol / l | Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 6.6 x 10-7 mol / l | galasy; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 6.6 x 10-7 mol / l | galmak 2; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 6.6 x 10-7 mol / l | ph 3; Memes: 25 ° C. | (1) ACD |
Emläk | Bahasy | Ýagdaýy | Çeşme |
Molar selubkasy | 6.6 x 10-7 mol / l | ph 4; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 6.6 x 10-7 mol / l | ph 5; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 6.6 x 10-7 mol / l | ph 6; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 6.6 x 10-7 mol / l | ph 7; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 6.6 x 10-7 mol / l | ph 8; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 6.6 x 10-7 mol / l | ph 9; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 6.7 x 10-7 mol / l | ph 10; Memes: 25 ° C. | (1) ACD |
Molar selubkasy | 6.6 x 10-7 mol / l | Siňdirilmedik suw ph ph 7.00; Memes: 25 ° C. | (1) ACD |
Molekulýar agramy | 542.58 | ||
pka | 12.51 ± 0.60 | "Kisidik temp: 25 ° C. | (1) ACD |
pka | -4.38 ± 0.60 | Esasy temp: 25 ° C. | (1) ACD |
Bug basyşy | 3.73 x 10-20 torr | Memes: 25 ° C. | (1) ACD |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Dykyzlygy
Emläk | Bahasy | Ýagdaýy | Çeşme |
Dykyzlygy | 1.33 ± 0,1,1 g / cm3 | Bu bellik: 20 ° C; MEKDEB: 760 torr | (1) ACD |
Woll nukagly | 404.9 ± 7.0 sm3 / mol | Bu bellik: 20 ° C; MEKDEB: 760 torr | (1) ACD |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Lipinski
Emläk | Bahasy | Ýagdaýy | Çeşme |
Erkin aýlanýan baglanyşyklar | 9 | (1) ACD | |
H. | 9 | (1) ACD | |
H donorlar | 1 | (1) ACD | |
H donor / kabul ediji jem | 10 | (1) ACD | |
dilim | 4.839 ± 0.618 | Memes: 25 ° C. | (1) ACD |
Molekulýar agramy | 542.58 |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Gurluşy
Emläk | Bahasy | Ýagdaýy | Çeşme |
Polýar ýer meýdany | 99.1 A2 | (1) ACD |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Termylal
Emläk | Bahasy | Ýagdaýy | Çeşme |
Gaýnatmak nokady | 692.9 ± 65.0 ° C. | MEKDEB: 760 torr | (1) ACD |
Buglygyň ýanynda | 106.61 ± 3.0 1 KJ / MOL | MEKDEB: 760 torr | (1) ACD |
Fleşko nokat | 372.8 ± 34.3 ° C. | (1) ACD |
(1) Gowrän himiýa ösüşini (ACD / Labors) programma üpjünçiligini (© 1994-20233 ACD / laboratoriýa) arkaly hasaplanýar
Spektrler bar
1H nmr
13C nmr